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CS-W001157 4
Total: USD 88.00

4-Bromo-3-methyl-5-(trifluoromethyl)-1H-pyrazole

  • CAS No. 60061-68-9

  • Cat. No. CS-W010395
  • Purity≥96%
  • MDL No.MFCD00120266

*For research and further manufacturing use only, not for direct human use.

4-Bromo-3-methyl-5-(trifluoromethyl)-1H-pyrazole|CS-W010395

Structure of 60061-68-9

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General Information

  • CAS No. 60061-68-9
  • Cat. No. CS-W010395
  • Purity ≥96%
  • MDL No. MFCD00120266
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₄BrF₃N₂
  • Molecular Weight None
  • Synonym(s) 4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazole
  • SMILES FC(C1=C(Br)C(C)=NN1)(F)F

Description

4-Bromo-3-methyl-5-(trifluoromethyl)-1H-pyrazole is a fluorinated heterocyclic building block featuring a bromine atom at the 4-position and a trifluoromethyl group at the 5-position. This electron-deficient pyrazole scaffold enables efficient cross-coupling reactions, offering high stability under standard conditions. The methyl substituent enhances regioselectivity in synthetic transformations.

Application

4-Bromo-3-methyl-5-(trifluoromethyl)-1H-pyrazole serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its stable bromo functionality. The trifluoromethyl group enhances metabolic stability and lipophilicity, while the methyl substituent provides steric control. This compound functions effectively in Suzuki-Miyaura, Stille, and Negishi couplings, offering reliable access to substituted pyrazole scaffolds commonly found in bioactive molecules. Its bench-stable nature and ease of purification support scalable synthesis.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   28.68
  • LogP   2.49942
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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